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4,5-Dimethoxy-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium
SpectraBase Compound ID 8HEOmC3gRGp
InChI InChI=1S/C8H7N3O6/c1-15-5-3-4(10(12)13)6-7(8(5)16-2)11(14)17-9-6/h3H,1-2H3
InChIKey JPCSXELXXFUUTO-UHFFFAOYSA-N
Mol Weight 241.16 g/mol
Molecular Formula C8H7N3O6
Exact Mass 241.033485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxabdbptLYx
Name 4,5-Dimethoxy-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium
Alternate Name(s) 4,5-Dimethoxy-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium 6,7-Dimethoxy-4-nitro-1-oxido-benzofurazan-1-ium
CAS Registry Number 116776-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O6
InChI InChI=1S/C8H7N3O6/c1-15-5-3-4(10(12)13)6-7(8(5)16-2)11(14)17-9-6/h3H,1-2H3
InChIKey JPCSXELXXFUUTO-UHFFFAOYSA-N
Molecular Weight 241.159 g/mol
SMILES c12c(cc(c(c2[n+]([O-])on1)OC)OC)N(=O)=O
SPLASH splash10-002f-9550000000-7fc9b36b53b0c05af078
Source of Spectrum Y-25-806-3
Wiley ID 1243758